Ethyl 3-(2-nitrophenyl)-2-oxiranecarboxylate
Basic information
- CAS
109844-63-5- Standard SMILES
CCOC(=O)C1OC1c1ccccc1[N+](=O)[O-]- InChIKey
QLEAKRPFCAMLIY-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- Ethyl 3-(2-nitrophenyl)-2-oxiranecarboxylate
- IUPAC
- ethyl 3-(2-nitrophenyl)oxirane-2-carboxylate
- English name
- ethyl 3-(2-nitrophenyl)oxirane-2-carboxylate
- Molecular formula
- C11H11NO5
- Molecular weight
- 237.20874
Names & synonyms
ETHYL 3-(2-NITROPHENYL)-2-OXIRANECARBOXYLATERefChem:594639109844-63-5662-861-4AKOS024339965ethyl 3-(2-nitrophenyl)oxirane-2-carboxylate
Database identifiers
- CAS
109844-63-5- PubChem CID
- 4434005
- EC Number
- 662-861-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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Related reactions
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Compound notes
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